Impact of germanium on vacancy clustering in germanium-doped silicon

Recent density functional theory calculations by Chen et al. [J. Appl. Phys. 103, 123519 (2008)] revealed that vacancies (V) tend to accumulate around germanium (Ge) atoms in Ge-doped silicon (Si) to form GeVn clusters. In the present study, we employ similar electronic structure calculations to predict the binding energies of GeVn and Vn clusters containing up to four V. It is verified that V are strongly attracted to pre-existing GeVn clusters. Nevertheless, by comparing with the stability of Vn clusters, we predict that the Ge contribution to the binding energy of the GeVn clusters is limited. We use mass action analysis to quantify the relative concentrations of GeVn and Vn clusters over a wide temperature range: Vn clusters dominate in Ge-doped Si under realistic conditions

Defect interactions in Sn_1-<i>x</i>Ge_<i>x</i> random alloys

Sn1-xGex alloys are candidates for buffer layers to match the lattices of III-V or II-VI compounds with Si or Ge for microelectronic or optoelectronic applications. In the present work electronic structure calculations are used to study relative energies of clusters formed between Sn atoms and lattice vacancies in Ge that relate to alloys of low Sn content. We also establish that the special quasirandom structure approach correctly describes the random alloy nature of Sn1-xGex with higher Sn content. In particular, the calculated deviations of the lattice parameters from Vegard's Law are consistent with experimental results

<i>E</i> centers in ternary Si_1-<i>x-y</i>Ge_<i>x</i>Sn_<i>y</i> random alloys

Density functional theory calculations are used to study the association of arsenic (As) atoms to lattice vacancies and the formation of As-vacancy pairs, known as E centers, in the random Si0.375Ge0.5Sn0.125 alloy. The local environments are described by 32-atom special quasirandom structures that represent random Si1-x-yGexSny alloys. It is predicted that the nearest-neighbor environment will exert a strong influence on the stability of E centers in ternary Si0.375Ge0.5Sn0.125

Fluorine codoping in germanium to suppress donor diffusion and deactivation

Electronic structure calculations are used to investigate the stability of fluorine-vacancy (Fn)Vm) clusters in germanium (Ge). Using mass action analysis, it is predicted that the FnVm clusters can remediate the concentration of free V considerably. Importantly, we find that F and P codoping leads to a reduction in the concentration of donor-vacancy (DV) pairs. These pairs are responsible for the atomic transport and the formation of DnV clusters that lead to a deactivation of donor atoms. The predictions are technologically significant as they point toward an approach by which V-mediated donor diffusion and the formation of inactive D(n)V clusters can be suppressed. This would result in shallow and fully electrically active n-type doped regions in Ge-based electronic devices

Engineering the free vacancy and active donor concentrations in phosphorus and arsenic double donor-doped germanium

In germanium, donor atoms migrate or form larger immobile clusters via their interaction with lattice vacancies. By engineering the concentration of free vacancies, it is possible to control the diffusion of the donor atoms and the formation of those larger clusters that lead to the deactivation of a significant proportion of the donor atoms. Electronic structure calculations in conjunction with mass action analysis are used to predict the concentrations of free vacancies and deactivated donor atoms in germanium doped with different proportions of arsenic and phosphorous. We find, for example, that at low temperatures, the concentration of free vacancies is partially suppressed by increasing the proportion of arsenic doping, whereas at high temperatures (above 1000 K), the concentration of free vacancies is relatively constant irrespective of the donor species. It is predicted that the free vacancy and active donor concentrations vary linearly with the arsenic to phosphorous ratio across a wide range of temperatures

Diffusion of E centers in germanium predicted using GGA+U approach

Density functional theory calculations (based on GGA+U approach) are used to investigate the formation and diffusion of donor-vacancy pairs (E centers) in germanium. We conclude that depending upon the Fermi energy, E centers that incorporate for phosphorous and arsenic can form in their neutral, singly negatively or doubly negatively charged states whereas with antimony only the neutral or doubly negatively charged states are predicted. The activation energies of diffusion are compared with recent experimental work and support the idea that smaller donor atoms exhibit higher diffusion activation energies

A digital flux-locked loop for high temperature SQUID magnetometer and gradiometer systems with field cancellation

The SQUID sensor is typically operated in a null detector mode where an analogue flux-locked-loop, FLL, provides a negative feedback to maintain linear operation. The modulated SQUID signal is amplified, filtered, demodulated, and integrated in the FLL. The resulting analog signal is a measure of the magnetic field and noise at the SQUID and is also fed back to the modulation and feedback (M & F) coil to null the flux at the SQUID to maintain the linear operating point. Thus, the FLL output signal is proportional to the change in magnetic field at the SQUID pickup coil, provided the slew rate and dynamic range of the SQUID and FLL system are not exceeded. The goal of the work is to advance technologies needed for a practical fieldable SQUID biomagnetic sensor. We used HTC SQUIDs to realize the benefits noted above. We also implemented the FLL algorithm on a digital-signal-processor (DSP) to realize a number of benefits including (1) software control of noise filtering and background rejection to enable unshielded use of SQUID sensors, (2) flux quanta countin and resetting SQUID operating point to increase system slew rate and dynamic range, (3) programmable FLL adaptable to numerous specific applications, (4) digital signal output (up to 32-bit precision), and (5) reduced FLL package cost. This paper presents results of external signal rejection for a sensor system using HTC SQUIDs, preamplifier circuit, and DSP FLL designed and built at our laboratory. We also note a companion paper in these proceedings and other references to the use of DSP in SQUID applications

Diffusion and defect reactions between donors, C, and vacancies in Ge. II. Atomistic calculations of related complexes

Electronic structure calculations are used to study the stability, concentration, and migration of vacancy-donor (phosphorus, arsenic, and antimony) complexes in germanium, in the presence of carbon. The association of carbon with mobile vacancy-donor pairs can lead to energetically favorable and relatively immobile complexes. It is predicted that the complexes formed between lattice vacancies, carbon, and antimony substitutional atoms are more stable and less mobile compared to complexes composed of vacancies, carbon, and phosphorus or arsenic atoms. Then, with the use of mass action analysis, the relative concentrations of the most important complexes are calculated, which depend also on their relative stability not just their absolute stability. Overall, the theoretical predictions are consistent with experimental results, which determined that the diffusion of vacancy-donor defects is retarded in the presence of carbon, especially in samples with a high concentration of carbon. In addition, the calculations provide information on the structure and the equilibrium concentration of the most important complexes and details of their association energies

Effects of a Myrciaria jaboticaba peel extract on starch and triglyceride absorption and the role of cyanidin-3- O -glucoside

The purpose of this study was to perform a parallel and comparative investigation of the effects of a Myrciaria jaboticaba (common name jabuticaba) peel extract and of its constituent cyanidin-3-O-glucoside on the overall process of starch and triglyceride intestinal absorption. The peel extract inhibited both the porcine pancreactic α-amylase and the pancreatic lipase but was 13.6 times more potent on the latter (IC50 values of 1963 and 143.9 μg mL-1, respectively). Cyanidin-3-O-glucoside did not contribute significantly to these inhibitions. The jabuticaba peel extract inhibited starch absorption in mice at doses that were compatible with its inhibitory action on the α-amylase. No inhibition of starch absorption was found with cyanidin-3-O-glucoside doses compatible with its content in the extract. The extract also inhibited triglyceride absorption, but at doses that were considerably smaller than those predicted by its strength in inhibiting the pancreatic lipase (ID50 = 3.65 mg kg-1). In this case, cyanidin-3-O-glucoside was also strongly inhibitory, with 72% inhibition at the dose of 2 mg kg-1. When oleate + glycerol were given to mice, both the peel extract and cyanidin-3-O-glucoside strongly inhibited the appearance of triglycerides in the plasma. The main mechanism seems, thus, not to be the lipase inhibition but rather the inhibition of one or more steps (e.g., transport) in the events that lead to the transformation of free fatty acids in the intestinal tract into triglycerides. Due to the low active doses, the jabuticaba peel extract presents many favourable perspectives as an inhibitor of fat absorption and cyanidin-3-O-glucoside seems to play a decisive role. This journal is.This work was financially supported by grants from the Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq-304090/2016-6) and Coordenação do Aperfeiçoamento de Pessoal do Ensino Superior (CAPES). The authors are grateful to the Foundation for Science and Technology (FCT, Portugal) for financial support through national funds FCT/MCTES to CIMO (UIDB/00690/2020) and through the institutional scientific employment program-contract for L. Barros contract. This work was also funded by the European Regional Development Fund (ERDF) through the Regional Operational Program North 2020, within the scope of Project Mobilizador Norte-01-0247-FEDER-024479: ValorNatural®.info:eu-repo/semantics/publishedVersio

Intrinsic and extrinsic diffusion of indium in germanium

Diffusion experiments with indium (In) in germanium (Ge) were performed in the temperature range between 550 and 900°C. Intrinsic and extrinsic doping levels were achieved by utilizing various implantation doses. Indium concentration profiles were recorded by means of secondary ion mass spectrometry and spreading resistance profiling. The observed concentration independent diffusion profiles are accurately described based on the vacancy mechanism with a singly negatively charged mobile In-vacancy complex. In accord with the experiment, the diffusion model predicts an effective In diffusion coefficient under extrinsic conditions that is a factor of 2 higher than under intrinsic conditions. The temperature dependence of intrinsic In diffusion yields an activation enthalpy of 3.51 eV and confirms earlier results of Dorner et al. [Z. Metallk. 73, 325 (1982)]. The value clearly exceeds the activation enthalpy of Ge self- diffusion and indicates that the attractive interaction between In and a vacancy does not extend to third nearest neighbor sites which confirms recent theoretical calculations. At low temperatures and high doping levels, the In profiles show an extended tail that could reflect an enhanced diffusion at the beginning of the annealing